logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMDIV-ZINC06868621

 MMsINC code: MMs01049712
Type: Neutral
Formula: C23H28FN3O
SMILES:   Fc1cc(ccc1)-c1nc(c2n1CCCCC2)C(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C23H28FN3O/c24-19-11-7-10-18(16-19)22-26-21(20-12-5-2-6-15-27(20)22)23(28)25-14-13-17-8-3-1-4-9-17/h7-8,10-11,16H,1-6,9,12-15H2,(H,25,28)

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=75.2102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.495 g/mol  logS: -6.07225  SlogP: 5.30227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405844  Sterimol/B1: 2.88006  Sterimol/B2: 3.88429  Sterimol/B3: 4.16323
  Sterimol/B4: 8.78216  Sterimol/L: 18.5867 
 
 Surface and Volume Properties
  Accessible surface: 675.514  Positive charged surface: 472.135  Negative charged surface: 203.38  Volume: 378.875
  Hydrophobic surface: 611.834  Hydrophilic surface: 63.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.